(1,3-dimethylpyrazol-4-yl)-(4-ethylpiperidin-2-yl)methanol

C13H23N3O — CID 83089844

IUPAC(1,3-dimethylpyrazol-4-yl)-(4-ethylpiperidin-2-yl)methanol
SMILESCCC1CCNC(C(O)c2cn(C)nc2C)C1
InChIInChI=1S/C13H23N3O/c1-4-10-5-6-14-12(7-10)13(17)11-8-16(3)15-9(11)2/h8,10,12-14,17H,4-7H2,1-3H3
InChIKeyOBGQZCVGGXFOTL-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.54
Rot. Bonds3

About (1,3-dimethylpyrazol-4-yl)-(4-ethylpiperidin-2-yl)methanol

(1,3-dimethylpyrazol-4-yl)-(4-ethylpiperidin-2-yl)methanol (PubChem CID 83089844) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-(4-ethylpiperidin-2-yl)methanol.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)-(4-ethylpiperidin-2-yl)methanol
PubChem CID83089844
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name(1,3-dimethylpyrazol-4-yl)-(4-ethylpiperidin-2-yl)methanol
SMILESCCC1CCNC(C(O)c2cn(C)nc2C)C1
InChIInChI=1S/C13H23N3O/c1-4-10-5-6-14-12(7-10)13(17)11-8-16(3)15-9(11)2/h8,10,12-14,17H,4-7H2,1-3H3
InChIKeyOBGQZCVGGXFOTL-UHFFFAOYSA-N
XLogP1.54
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)-(4-ethylpiperidin-2-yl)methanol?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-(4-ethylpiperidin-2-yl)methanol (CID 83089844) is (1,3-dimethylpyrazol-4-yl)-(4-ethylpiperidin-2-yl)methanol.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-(4-ethylpiperidin-2-yl)methanol?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-(4-ethylpiperidin-2-yl)methanol is CCC1CCNC(C(O)c2cn(C)nc2C)C1.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-(4-ethylpiperidin-2-yl)methanol?
The InChIKey is OBGQZCVGGXFOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-10-5-6-14-12(7-10)13(17)11-8-16(3)15-9(11)2/h8,10,12-14,17H,4-7H2,1-3H3.
What are the key properties of (1,3-dimethylpyrazol-4-yl)-(4-ethylpiperidin-2-yl)methanol?
(1,3-dimethylpyrazol-4-yl)-(4-ethylpiperidin-2-yl)methanol has a molecular weight of 237.35 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazol-4-yl)-(4-ethylpiperidin-2-yl)methanol is sourced from PubChem (CID 83089844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).